6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine

C14H18ClN5O — CID 15945094

IUPAC6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCOc2ccc(C)cc2)n1
InChIInChI=1S/C14H18ClN5O/c1-3-16-13-18-12(15)19-14(20-13)17-8-9-21-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyGECFDUAORIQNRL-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.76
Rot. Bonds7

About 6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 15945094) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID15945094
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCOc2ccc(C)cc2)n1
InChIInChI=1S/C14H18ClN5O/c1-3-16-13-18-12(15)19-14(20-13)17-8-9-21-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyGECFDUAORIQNRL-UHFFFAOYSA-N
XLogP2.76
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 15945094) is 6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCCOc2ccc(C)cc2)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GECFDUAORIQNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-3-16-13-18-12(15)19-14(20-13)17-8-9-21-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 307.79 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15945094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).